4-[N-hydroxy-C-(quinolin-8-ylmethyl)carbonimidoyl]benzene-1,3-diol

C17H14N2O3 — CID 5213525

IUPAC4-[N-hydroxy-C-(quinolin-8-ylmethyl)carbonimidoyl]benzene-1,3-diol
SMILESON=C(Cc1cccc2cccnc12)c1ccc(O)cc1O
InChIInChI=1S/C17H14N2O3/c20-13-6-7-14(16(21)10-13)15(19-22)9-12-4-1-3-11-5-2-8-18-17(11)12/h1-8,10,20-22H,9H2
InChIKeyUKZVLUIPLQEQBW-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.07
Rot. Bonds3

About 4-[N-hydroxy-C-(quinolin-8-ylmethyl)carbonimidoyl]benzene-1,3-diol

4-[N-hydroxy-C-(quinolin-8-ylmethyl)carbonimidoyl]benzene-1,3-diol (PubChem CID 5213525) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-[N-hydroxy-C-(quinolin-8-ylmethyl)carbonimidoyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[N-hydroxy-C-(quinolin-8-ylmethyl)carbonimidoyl]benzene-1,3-diol
PubChem CID5213525
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name4-[N-hydroxy-C-(quinolin-8-ylmethyl)carbonimidoyl]benzene-1,3-diol
SMILESON=C(Cc1cccc2cccnc12)c1ccc(O)cc1O
InChIInChI=1S/C17H14N2O3/c20-13-6-7-14(16(21)10-13)15(19-22)9-12-4-1-3-11-5-2-8-18-17(11)12/h1-8,10,20-22H,9H2
InChIKeyUKZVLUIPLQEQBW-UHFFFAOYSA-N
XLogP3.07
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2-quinolin-8-ylethanimidamide
CID 53412326
1-(2,4-dihydroxyphenyl)-2-(6-methylquinolin-8-yl)ethanone
CID 2330404
4-[(Z)-C-[(4-bromophenyl)methyl]-N-hydroxycarbonimidoyl]benzene-1,3-diol
CID 135992550
quinolin-8-ol;yttrium
CID 174635627
CID 54604144
CID 54604144
aluminum quinolin-8-ylmethanol
CID 23124809
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 135673668
8-(2-methylprop-2-enyl)quinoline
CID 142452195
4-[(Z)-N-hydroxy-C-propylcarbonimidoyl]benzene-1,3-diol
CID 136848905
2-[N-hydroxy-C-(pyridin-2-ylmethyl)carbonimidoyl]-5-methoxyphenol
CID 3887357
quinolin-8-ylmethyl 3-hydroxybenzoate
CID 17392700
zinc quinolin-8-ol
CID 22057723

Frequently Asked Questions

What is the IUPAC name of 4-[N-hydroxy-C-(quinolin-8-ylmethyl)carbonimidoyl]benzene-1,3-diol?
The IUPAC name of 4-[N-hydroxy-C-(quinolin-8-ylmethyl)carbonimidoyl]benzene-1,3-diol (CID 5213525) is 4-[N-hydroxy-C-(quinolin-8-ylmethyl)carbonimidoyl]benzene-1,3-diol.
What is the SMILES notation for 4-[N-hydroxy-C-(quinolin-8-ylmethyl)carbonimidoyl]benzene-1,3-diol?
The canonical SMILES for 4-[N-hydroxy-C-(quinolin-8-ylmethyl)carbonimidoyl]benzene-1,3-diol is ON=C(Cc1cccc2cccnc12)c1ccc(O)cc1O.
What is the InChIKey of 4-[N-hydroxy-C-(quinolin-8-ylmethyl)carbonimidoyl]benzene-1,3-diol?
The InChIKey is UKZVLUIPLQEQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c20-13-6-7-14(16(21)10-13)15(19-22)9-12-4-1-3-11-5-2-8-18-17(11)12/h1-8,10,20-22H,9H2.
What are the key properties of 4-[N-hydroxy-C-(quinolin-8-ylmethyl)carbonimidoyl]benzene-1,3-diol?
4-[N-hydroxy-C-(quinolin-8-ylmethyl)carbonimidoyl]benzene-1,3-diol has a molecular weight of 294.31 g/mol, XLogP of 3.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-hydroxy-C-(quinolin-8-ylmethyl)carbonimidoyl]benzene-1,3-diol is sourced from PubChem (CID 5213525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).